SCHEMBL30079680

SCHEMBL30079680

NC(=O)Nc1cncnc1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.35
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RPS6KB1 P23443 3/20 0.34
AKT1 P31749 2/20 0.34
EGFR P00533 1/20 0.33
IKBKB O14920 1/20 0.33
BCAT2 O15382 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
MAPT P10636 1/20 0.32
GFER P55789 1/20 0.32
MKNK1 Q9BUB5 1/20 0.31
PEPD P12955 1/20 0.31
NR3C2 P08235 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
ATR Q13535 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23631774 0.74 KIF11 (0.37) KIF11GAAKDM4EEGFRTRPV1
SCHEMBL23941662 0.73 GPR142 (0.48) AKT1HDAC3HDAC1HDAC2HDAC8
SCHEMBL27456484 0.73 NTRK1 (0.47) GAARPS6KB1AKT1IKBKBBCAT2
SCHEMBL15308596 0.70
SCHEMBL9413722 0.68 KDM4C (0.46) GAAKDM4EHDAC3HDAC1HDAC2
SCHEMBL513746 0.67 EPHX2 (0.43) KIF11GAAKDM4EMAPTGFER
SCHEMBL1431302 0.67 BCAT2 (0.52) KIF11GAABCAT2MAPTGFER
SCHEMBL9017891 0.64 HDAC1 (0.49) GAAKDM4EMAPTHDAC3HDAC1
SCHEMBL27684513 0.63 SIRT3 (0.55) MAPTATR
SCHEMBL23925748 0.63 ADORA3 (0.36) RPS6KB1AKT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4139306-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2023-03-01 EP disclosed
CN-115380032-A KV3 enhancers for the treatment of cognitive disorders 豪夫迈·罗氏有限公司 2022-11-22 CN disclosed